SCHEMBL23037481

SCHEMBL23037481

C1CN2CCN1CC2.CC(C)c1cc(Br)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.47
GABRB1 P18505 1/20 0.47
HSP90AA1 P07900 4/20 0.43
HSP90AB1 P08238 4/20 0.43
KMT2A Q03164 1/20 0.41
ALOX15 P16050 1/20 0.41
HPGD P15428 1/20 0.40
GABRB2 P47870 1/20 0.39
TSHR P16473 1/20 0.39
GFER P55789 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CES2 O00748 1/20 0.36
GALR3 O60755 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL282835 0.89 GABRA1 (0.58) GABRA1GABRB1HSP90AA1HSP90AB1KMT2A
SCHEMBL31182212 0.89 GABRA1 (0.58) GABRA1GABRB1HSP90AA1HSP90AB1KMT2A
Formaldehyde SCHEMBL27866505 0.83 GABRA1 (0.52) GABRA1GABRB1HSP90AA1HSP90AB1KMT2A
SCHEMBL6529715 0.76 GABRA1 (0.44) GABRA1GABRB1HSP90AA1HSP90AB1KMT2A
SCHEMBL2984801 0.75 ALOX15 (0.48) GABRA1GABRB1KMT2AALOX15HPGD
SCHEMBL6273718 0.73 ALOX15 (0.46) GABRA1GABRB1KMT2AALOX15HPGD
SCHEMBL20855723 0.73 ALOX15 (0.46) GABRA1GABRB1KMT2AALOX15HPGD
SCHEMBL20855720 0.73 ALOX15 (0.46) GABRA1GABRB1KMT2AALOX15HPGD
SCHEMBL4912678 0.72 LMNA (0.59) GABRA1GABRB1KMT2AALOX15HPGD
SCHEMBL23037559 0.72 GABRA1 (0.60) GABRA1GABRB1HSP90AA1HSP90AB1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584724-B2 Process for synthesis of a phenoxy diaminopyrimidine compound MERCK SHARP & DOHME LLC (US) 2023-02-21 US disclosed
US-20210122717-A1 NOVEL PROCESS FOR SYNTHESIS OF A PHENOXY DIAMINOPYRIMIDINE COMPOUND MERCK SHARP & DOHME CORP. (US) 2021-04-29 US disclosed
EP-3784242-A1 NOVEL PROCESS FOR SYNTHESIS OF A PHENOXY DIAMINOPYRIMIDINE COMPOUND Merck Sharp&Dohme Corp. (US) 2021-03-03 EP disclosed
CN-112423756-A Novel process for the synthesis of phenoxydiaminopyrimidine compounds 默沙东公司 2021-02-26 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11584724-B2 Process for synthesis of a phenoxy diaminopyrimidine compound DPYD, DCTPP1, CTDSP1 GABRA1 3237/4885GABRB1 3348/4885HSP90AA1 3461/4885
US-20210122717-A1 NOVEL PROCESS FOR SYNTHESIS OF A PHENOXY DIAMINOPYRIMIDINE COMPOUND DCTPP1, DPYD, CTDSP1 GABRA1 3146/4885GABRB1 3147/4885HSP90AA1 3603/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.